2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide

C12H16F3N3O3 — CID 79793548

IUPAC2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(N)C(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-11(16,12(13,14)15)10(20)17-8-3-4-9(19)18(7-8)5-6-21-2/h3-4,7H,5-6,16H2,1-2H3,(H,17,20)
InChIKeyJSILXKXZPFMDFN-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide (PubChem CID 79793548) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide
PubChem CID79793548
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(N)C(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-11(16,12(13,14)15)10(20)17-8-3-4-9(19)18(7-8)5-6-21-2/h3-4,7H,5-6,16H2,1-2H3,(H,17,20)
InChIKeyJSILXKXZPFMDFN-UHFFFAOYSA-N
XLogP0.71
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide (CID 79793548) is 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide is COCCn1cc(NC(=O)C(C)(N)C(F)(F)F)ccc1=O.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide?
The InChIKey is JSILXKXZPFMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-11(16,12(13,14)15)10(20)17-8-3-4-9(19)18(7-8)5-6-21-2/h3-4,7H,5-6,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide has a molecular weight of 307.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 79793548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).